6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

C19H22N6O2 — CID 67238695

IUPAC6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESCOCC(N)CNc1nc(Nc2cccc(C)c2)c2c(c1C#N)CNC2=O
InChIInChI=1S/C19H22N6O2/c1-11-4-3-5-13(6-11)24-18-16-15(9-23-19(16)26)14(7-20)17(25-18)22-8-12(21)10-27-2/h3-6,12H,8-10,21H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyNGAWMQNSOMDIGI-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.63
Rot. Bonds7

About 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (PubChem CID 67238695) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
PubChem CID67238695
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESCOCC(N)CNc1nc(Nc2cccc(C)c2)c2c(c1C#N)CNC2=O
InChIInChI=1S/C19H22N6O2/c1-11-4-3-5-13(6-11)24-18-16-15(9-23-19(16)26)14(7-20)17(25-18)22-8-12(21)10-27-2/h3-6,12H,8-10,21H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyNGAWMQNSOMDIGI-UHFFFAOYSA-N
XLogP1.63
TPSA125.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (CID 67238695) is 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is COCC(N)CNc1nc(Nc2cccc(C)c2)c2c(c1C#N)CNC2=O.
What is the InChIKey of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The InChIKey is NGAWMQNSOMDIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11-4-3-5-13(6-11)24-18-16-15(9-23-19(16)26)14(7-20)17(25-18)22-8-12(21)10-27-2/h3-6,12H,8-10,21H2,1-2H3,(H,23,26)(H2,22,24,25).
What are the key properties of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile has a molecular weight of 366.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 67238695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).